2-[4-chloranyl-6-oxidanylidene-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-chloranyl-6-oxidanylidene-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[5-(benzyloxycarbonylamino)-4-chloro-6-oxo-pyrimidin-1-yl]-2-phenyl-acetic acid CAS Name: 2-[4-chloro-6-oxo-5-(phenylmethoxycarbonylamino)-1-pyrimidinyl]-2-phenylacetic acid IUPAC Name: 2-[4-chloro-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]-2-phenylacetic acid Traditional Name: 2-[5-(benzyloxycarbonylamino)-4-chloro-6-keto-pyrimidin-1-yl]-2-phenyl-acetic acid Formula: C20H16ClN3O5 MolecularWeight: 413.81114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=C(N=CN(C2=O)C(C3=CC=CC=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=C(N=CN(C2=O)C(C3=CC=CC=C3)C(=O)O)Cl

InChI

InChI=1S/C20H16ClN3O5/c21-17-15(23-20(28)29-11-13-7-3-1-4-8-13)18(25)24(12-22-17)16(19(26)27)14-9-5-2-6-10-14/h1-10,12,16H,11H2,(H,23,28)(H,26,27)